(2S)-2-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(1-piperazin-4-iumyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-piperazin-4-ium-1-yl-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C16H27N5O+2 MolecularWeight: 305.41848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H25N5O/c1-14(19-8-6-17-7-9-19)16(22)21-12-10-20(11-13-21)15-4-2-3-5-18-15/h2-5,14,17H,6-13H2,1H3/p+2/t14-/m0/s1